Fixing atoms while equilibration

From: Siva Dasetty (
Date: Fri Aug 29 2014 - 20:12:21 CDT

Dear All,

I am doing an energy minimization of graphene in implicit solvent by fixing all graphene atoms using fixedAtoms=on in NAMD version 2.10b1. As expected all the energies are 0 in my output log file as I excluded all bonded and non bonded interactions, however temp and tempavg seems to have this huge number 999999999.99999. Can someone please explain this?


This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:48 CST